N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H16N2O2 — CID 46446482

IUPACN-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C19H16N2O2/c1-2-14-7-6-8-16(11-14)20-19(23)15-12-18(22)21(13-15)17-9-4-3-5-10-17/h1,3-11,15H,12-13H2,(H,20,23)
InChIKeyRUPOHELFMJRUEQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.66
Rot. Bonds3

About N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 46446482) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID46446482
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESC#Cc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1
InChIInChI=1S/C19H16N2O2/c1-2-14-7-6-8-16(11-14)20-19(23)15-12-18(22)21(13-15)17-9-4-3-5-10-17/h1,3-11,15H,12-13H2,(H,20,23)
InChIKeyRUPOHELFMJRUEQ-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51933943
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
5-oxo-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide
CID 46408776
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 46446482) is N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is C#Cc1cccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is RUPOHELFMJRUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-14-7-6-8-16(11-14)20-19(23)15-12-18(22)21(13-15)17-9-4-3-5-10-17/h1,3-11,15H,12-13H2,(H,20,23).
What are the key properties of N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46446482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).